Consensus flow list

4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride

d6c7d3e1-952f-4610-83a3-ed0efd6f3f0b

Identity

Substance
fo-dadd84f4df77ba31 Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Surface water
CAS
816431-72-8
EC
617-251-2

Context

Dimension
Environmental
Media
Water
Water body
Surface water

Alternative labels

2

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 d6c7d3e1-952f-4610-83a3-ed0efd6f3f0b 4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl chloride The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 d6c7d3e1-952f-4610-83a3-ed0efd6f3f0b 4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl chloride Emissions/Emissions to water/Emissions to fresh water exactMatch —

Characterisation factors

4

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Ecotoxicity, freshwater — 334.41 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 334.41 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 334.41 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 334.41 sole

This flow in the difference report

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "4-[[(2-Methoxybenzoyl)amino]sulfonyl]benzoyl chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:816431-72-8",
          "https://commonchemistry.cas.org/detail?cas_rn=816431-72-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoyl chloride, 4-[[(2-methoxybenzoyl)amino]sulfonyl]-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:816431-72-8",
          "https://commonchemistry.cas.org/detail?cas_rn=816431-72-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C15H12ClNO5S"
      ],
      "attested_by": {
        "C15H12ClNO5S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:165364912"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BSPWYRJWVCZIEF-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "BSPWYRJWVCZIEF-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:165364912"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1"
          ]
        }
      ],
      "attested_by": {
        "COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C15H12ClNO5S/c1-22-13-5-3-2-4-12(13)15(19)17-23(20,21)11-8-6-10(7-9-11)14(16)18/h2-9H,1H3,(H,17,19)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C15H12ClNO5S/c1-22-13-5-3-2-4-12(13)15(19)17-23(20,21)11-8-6-10(7-9-11)14(16)18/h2-9H,1H3,(H,17,19)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride"
        ]
      },
      "attested_by": {
        "4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        353.783,
        707.566
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)Cl.COC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1"
          ]
        }
      ],
      "attested_by": {
        "707.566": [
          "rdkit_pre_consensus"
        ],
        "353.783": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        353.012471,
        706.024942
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)Cl.COC1=CC=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)Cl"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)Cl)cc1"
          ]
        }
      ],
      "attested_by": {
        "706.024942": [
          "rdkit_pre_consensus"
        ],
        "353.012471": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.112.246",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165364912;CAS:816431-72-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[816431-72-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=816431-72-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "816431-72-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID201036454",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165364912;CAS:816431-72-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[816431-72-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/165364912",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:165364912;CAS:816431-72-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[816431-72-8]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl Chloride",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "d6c7d3e1-952f-4610-83a3-ed0efd6f3f0b",
  "identifier": "d6c7d3e1-952f-4610-83a3-ed0efd6f3f0b",
  "source": "EF 3.1",
  "cas_numbers": [
    "816431-72-8"
  ],
  "ec_numbers": [
    "617-251-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "synonyms": [],
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 334.41
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 334.41
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-suwa",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-dadd84f4df77ba31",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/d6c7d3e1-952f-4610-83a3-ed0efd6f3f0b",
        "skos:prefLabel": "4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl chloride",
        "context": "Emissions/Emissions to water/Emissions to fresh water",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/d6c7d3e1-952f-4610-83a3-ed0efd6f3f0b"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/d6c7d3e1-952f-4610-83a3-ed0efd6f3f0b"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "816431-72-8": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "4-{[(2-methoxyphenyl)formamido]sulfonyl}benzoyl chloride",
    "synonyms": [
      "organic",
      "benzoylchloride,4-[[(2-methoxybenzoyl)amino]sulfonyl]-"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to fresh water"
    ],
    "cas_numbers": [
      "816431-72-8"
    ],
    "ec_numbers": [
      "617-251-2"
    ],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.